SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:5]([C@@:2]([N:1]([H:35])[H:36])([C:3]([O:4][H:21])([H:22])[H:23])[H:34])=[O:6])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H]>>[H]O[C:5]([C@@:2]([N:1]([H:35])[H:36])([C:3]([O:4][H:21])([H:22])[H:23])[H:34])=[O:6]
Derived Operators
EVODEX.1-F200 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -1 |
| H | -9 |
EVODEX.1-M127 - Mass Difference
-163.06337
EVODEX.1-E902 - Reaction Operator E
[#8:2]=[#6:3](-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[#6:17]>>[#8](-[#6:3](=[#8:2])-[#6:17])-[H]
EVODEX.1-C550 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:3])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:3]
EVODEX.1-N702 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:3](=[#8:2])-[#6:4])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:3](=[#8:2])-[#6:4]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5604
[N:1]([C@@:2]([C:3]([O:4][H:21])([H:22])[H:23])([C:5](=[O:6])[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([O:14][H:26]):[C:15]([H:27]):[C:16]:1[H:28])([H:29])[H:30])([C:17](=[O:18])[O:19][H:31])[H:32])[H:33])[H:34])([H:35])[H:36].[H][O:20][H:37]>>[N:1]([C@@:2]([C:3]([O:4][H:21])([H:22])[H:23])([C:5](=[O:6])[O:20][H:37])[H:34])([H:35])[H:36].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([O:14][H:26]):[C:15]([H:27]):[C:16]:1[H:28])([H:29])[H:30])([C:17](=[O:18])[O:19][H:31])[H:32])[H:33]